Is there any reason why RDKit says the nitrogen in beta-lactam is
SP2-hybridized? I would have assumed it should be SP3. It doesn't seem to
be the ring structure, 'C1NC1' lists all the atoms as being SP3.
>>> [(atom.GetSymbol(), atom.GetHybridization()) for atom in
rdkit.Chem.MolFromSmiles('O=C1CCN1').GetAtoms()]
[('O', rdkit.Chem.rdchem.HybridizationType.SP2),
('C', rdkit.Chem.rdchem.HybridizationType.SP2),
('C', rdkit.Chem.rdchem.HybridizationType.SP3),
('C', rdkit.Chem.rdchem.HybridizationType.SP3),
('N', rdkit.Chem.rdchem.HybridizationType.SP2)]
Thanks!
-- Peter
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